10967/196 - QDB Compounds

QsarDB Repository

Gharagheizi, F. A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure. J. Hazard. Mater. 2009, 169, 217–220.

Compound

ID:196
Name:1-Propanol, 2-(1,1-dimethylethoxy)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H16O2/c1-6(5-8)9-7(2,3)4/h6,8H,5H2,1-4H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
325

experimental value

349.61

Eq.1: Model for diverse and pure compounds (Validation set)